Detalhe da pesquisa
1.
Ligand recognition and allosteric regulation of DRD1-Gs signaling complexes.
Cell
; 184(4): 943-956.e18, 2021 02 18.
Artigo
em Inglês
| MEDLINE | ID: mdl-33571432
2.
Molecular mechanism of the one-component regulator RccR on bacterial metabolism and virulence.
Nucleic Acids Res
; 52(6): 3433-3449, 2024 Apr 12.
Artigo
em Inglês
| MEDLINE | ID: mdl-38477394
3.
Predicting molecular properties based on the interpretable graph neural network with multistep focus mechanism.
Brief Bioinform
; 24(1)2023 01 19.
Artigo
em Inglês
| MEDLINE | ID: mdl-36526280
4.
MpbPPI: a multi-task pre-training-based equivariant approach for the prediction of the effect of amino acid mutations on protein-protein interactions.
Brief Bioinform
; 24(5)2023 09 20.
Artigo
em Inglês
| MEDLINE | ID: mdl-37651610
5.
Bioinformatics toolbox for exploring target mutation-induced drug resistance.
Brief Bioinform
; 24(2)2023 03 19.
Artigo
em Inglês
| MEDLINE | ID: mdl-36738254
6.
Can molecular dynamics simulations improve predictions of protein-ligand binding affinity with machine learning?
Brief Bioinform
; 24(2)2023 03 19.
Artigo
em Inglês
| MEDLINE | ID: mdl-36681903
7.
Improving drug-target affinity prediction via feature fusion and knowledge distillation.
Brief Bioinform
; 24(3)2023 05 19.
Artigo
em Inglês
| MEDLINE | ID: mdl-37099690
8.
TRIM5 as a promising diagnostic biomarker of hepatocellular carcinoma: integrated analysis and experimental validation.
Funct Integr Genomics
; 24(2): 63, 2024 Mar 22.
Artigo
em Inglês
| MEDLINE | ID: mdl-38517555
9.
fastDRH: a webserver to predict and analyze protein-ligand complexes based on molecular docking and MM/PB(GB)SA computation.
Brief Bioinform
; 23(5)2022 09 20.
Artigo
em Inglês
| MEDLINE | ID: mdl-35580866
10.
Evaluation of AlphaFold2 Structures for Hit Identification across Multiple Scenarios.
J Chem Inf Model
; 64(9): 3630-3639, 2024 May 13.
Artigo
em Inglês
| MEDLINE | ID: mdl-38630855
11.
Effects of Indocyanine Green (ICG) Imaging-Assisted Cholecystectomy on Intraoperative and Postoperative Complications: A meta-Analysis.
Surg Innov
; : 15533506241246335, 2024 Apr 24.
Artigo
em Inglês
| MEDLINE | ID: mdl-38656291
12.
Revealing the Interaction Mechanism between Mycobacterium tuberculosis GyrB and Novobiocin, SPR719 through Binding Thermodynamics and Dissociation Kinetics Analysis.
Int J Mol Sci
; 25(7)2024 Mar 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-38612573
13.
MolAICal: a soft tool for 3D drug design of protein targets by artificial intelligence and classical algorithm.
Brief Bioinform
; 22(3)2021 05 20.
Artigo
em Inglês
| MEDLINE | ID: mdl-32778891
14.
TrimNet: learning molecular representation from triplet messages for biomedicine.
Brief Bioinform
; 22(4)2021 07 20.
Artigo
em Inglês
| MEDLINE | ID: mdl-33147620
15.
Deep Generation Model Guided by the Docking Score for Active Molecular Design.
J Chem Inf Model
; 63(10): 2983-2991, 2023 05 22.
Artigo
em Inglês
| MEDLINE | ID: mdl-37163364
16.
Small-Molecule Conformer Generators: Evaluation of Traditional Methods and AI Models on High-Quality Data Sets.
J Chem Inf Model
; 63(21): 6525-6536, 2023 11 13.
Artigo
em Inglês
| MEDLINE | ID: mdl-37883143
17.
CODD-Pred: A Web Server for Efficient Target Identification and Bioactivity Prediction of Small Molecules.
J Chem Inf Model
; 63(20): 6169-6176, 2023 10 23.
Artigo
em Inglês
| MEDLINE | ID: mdl-37820365
18.
Discovery of novel and potent InhA direct inhibitors by ensemble docking-based virtual screening and biological assays.
J Comput Aided Mol Des
; 37(12): 695-706, 2023 12.
Artigo
em Inglês
| MEDLINE | ID: mdl-37642861
19.
Identification of CBPA as a New Inhibitor of PD-1/PD-L1 Interaction.
Int J Mol Sci
; 24(4)2023 Feb 16.
Artigo
em Inglês
| MEDLINE | ID: mdl-36835382
20.
Biological Evaluation of 8-Methoxy-2,5-dimethyl-5H-indolo[2,3-b] Quinoline as a Potential Antitumor Agent via PI3K/AKT/mTOR Signaling.
Int J Mol Sci
; 24(20)2023 Oct 13.
Artigo
em Inglês
| MEDLINE | ID: mdl-37894822